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Substance Name: 3-(Thymin-1'-yl)-2-propenal
RN: 85394-19-0
InChIKey: CDPXAPVOBNKPPD-NSCUHMNNSA-N

Molecular Formula

  • C8-H8-N2-O3

Molecular Weight

  • 180.1622
 
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Names and Synonyms

Name of Substance

  • 3-(Thymin-1'-yl)-2-propenal

Synonyms

  • CCRIS 8713
  • Thymine propenal
  • Thymine-N(1)-2-propenal
  • TNPP

Systematic Name

  • 2-Propenal, 3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-

Registry Numbers

CAS Registry Number

  • 85394-19-0

System Generated Number

  • 0085394190

Structure Descriptors

InChI

1S/C8H8N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h2-5H,1H3,(H,9,12,13)/b3-2+

InChIKey

CDPXAPVOBNKPPD-NSCUHMNNSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)/C=C/C=O